1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid

C11H17NO2 — CID 69356985

IUPAC1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC=C1CCC1
InChIInChI=1S/C11H17NO2/c13-11(14)10-5-2-7-12(10)8-6-9-3-1-4-9/h6,10H,1-5,7-8H2,(H,13,14)
InChIKeySHZUVLKXANZUNO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid

1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid (PubChem CID 69356985) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid
PubChem CID69356985
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC=C1CCC1
InChIInChI=1S/C11H17NO2/c13-11(14)10-5-2-7-12(10)8-6-9-3-1-4-9/h6,10H,1-5,7-8H2,(H,13,14)
InChIKeySHZUVLKXANZUNO-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
CID 43441382
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(2-cyclopropylideneethyl)pyrrolidine-2-carbaldehyde
CID 45115948
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
CID 66737893
CID 66737893
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
1-(3-chloroprop-2-enyl)azepane-2-carboxylic acid
CID 77047205
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid (CID 69356985) is 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC=C1CCC1.
What is the InChIKey of 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SHZUVLKXANZUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)10-5-2-7-12(10)8-6-9-3-1-4-9/h6,10H,1-5,7-8H2,(H,13,14).
What are the key properties of 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid?
1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylideneethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69356985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).